3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one

C17H19NO — CID 62612961

IUPAC3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-14-8-10-15(11-9-14)17(19)12-13-18(2)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyCKPRMXAGWSSGSK-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.70
Rot. Bonds5

About 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one

3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one (PubChem CID 62612961) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
PubChem CID62612961
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-14-8-10-15(11-9-14)17(19)12-13-18(2)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyCKPRMXAGWSSGSK-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 63484455
1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
CID 43229292
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 174749229
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 112664511
3-[methyl-[2-(4-methylphenyl)-2-oxoethyl]amino]propanoic acid
CID 82136245
1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874551
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
N-methyl-N-(3-phenylbut-3-enyl)aniline
CID 138977624
1-(4-methylphenyl)-3-phenylselanylpropan-1-one
CID 23246415

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one (CID 62612961) is 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCN(C)c2ccccc2)cc1.
What is the InChIKey of 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one?
The InChIKey is CKPRMXAGWSSGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-14-8-10-15(11-9-14)17(19)12-13-18(2)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one?
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one has a molecular weight of 253.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62612961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).